2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

C19H23FN4O4 — CID 135446252

IUPAC2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)C1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C19H23FN4O4/c1-24(2)19(7-9-28-10-8-19)18-22-14(15(25)17(27)23-18)16(26)21-11-12-3-5-13(20)6-4-12/h3-6,25H,7-11H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyBYAYOQKXFJUFRC-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135446252) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135446252
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C)C1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C19H23FN4O4/c1-24(2)19(7-9-28-10-8-19)18-22-14(15(25)17(27)23-18)16(26)21-11-12-3-5-13(20)6-4-12/h3-6,25H,7-11H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyBYAYOQKXFJUFRC-UHFFFAOYSA-N
XLogP1.11
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 135446252) is 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is CN(C)C1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BYAYOQKXFJUFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-24(2)19(7-9-28-10-8-19)18-22-14(15(25)17(27)23-18)16(26)21-11-12-3-5-13(20)6-4-12/h3-6,25H,7-11H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).